SCHEMBL5147299

SCHEMBL5147299

N#CCOc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 10/20 0.55
▸ PLA2G2A P14555 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NR1H2 P55055 1/20 0.45
▸ BAX Q07812 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ KCNA3 P22001 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL180023 0.91 KCNA3 (0.50) LTA4HSMN1; SMN2TSHRMAOBKCNA3
SCHEMBL30753819 0.91 KCNA3 (0.50) LTA4HSMN1; SMN2TSHRMAOBKCNA3
SCHEMBL30753820 0.91 KCNA3 (0.50) LTA4HSMN1; SMN2TSHRMAOBKCNA3
SCHEMBL9782182 0.83 MAOB (0.46) LTA4HSMN1; SMN2MAOAMAOB
SCHEMBL11307105 0.82 MAOB (0.47) LTA4HMAOAMAOB
Diphenylether SCHEMBL10632533 0.80 LTA4H (0.57) LTA4HPLA2G2ATSHRNR1H2BAX
SCHEMBL1436935 0.80 MAOB (0.70) LTA4HSMN1; SMN2MAOAMAOB
SCHEMBL5147305 0.80 SMN1; SMN2 (0.48) LTA4HSMN1; SMN2TSHR
SCHEMBL9450788 0.80 LTA4H (0.55) LTA4HMAOB
SCHEMBL11263057 0.80 LTA4H (0.58) LTA4HPLA2G2ATSHRKCNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697303-A4 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES (US) 2007-07-04 — — EP disclosed
EP-1697303-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2006-09-06 — — EP disclosed
US-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof STIEFEL LABORATORIES, INC. 2006-03-02 — — US disclosed
WO-2005068414-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2005-07-28 — — WO disclosed
WO-2000078737-A2 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof HPD, HNMT, PRPH LTA4H 1261/4885PLA2G2A 678/4885SMN1; SMN2 1017/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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